(5-bromo-2,4-dimethylphenyl)methanol;ethane

C11H17BrO — CID 176929029

IUPAC(5-bromo-2,4-dimethylphenyl)methanol;ethane
SMILESCC.Cc1cc(C)c(CO)cc1Br
InChIInChI=1S/C9H11BrO.C2H6/c1-6-3-7(2)9(10)4-8(6)5-11;1-2/h3-4,11H,5H2,1-2H3;1-2H3
InChIKeyGGUUMVOXROBYJC-UHFFFAOYSA-N
MW245.16 g/mol
LogP3.58
Rot. Bonds1

About (5-bromo-2,4-dimethylphenyl)methanol;ethane

(5-bromo-2,4-dimethylphenyl)methanol;ethane (PubChem CID 176929029) has the molecular formula C11H17BrO and a molecular weight of 245.16 g/mol. Its IUPAC name is (5-bromo-2,4-dimethylphenyl)methanol;ethane.

Molecular Properties

Compound Name(5-bromo-2,4-dimethylphenyl)methanol;ethane
PubChem CID176929029
Molecular FormulaC11H17BrO
Molecular Weight245.16 g/mol
Exact Mass244.05
IUPAC Name(5-bromo-2,4-dimethylphenyl)methanol;ethane
SMILESCC.Cc1cc(C)c(CO)cc1Br
InChIInChI=1S/C9H11BrO.C2H6/c1-6-3-7(2)9(10)4-8(6)5-11;1-2/h3-4,11H,5H2,1-2H3;1-2H3
InChIKeyGGUUMVOXROBYJC-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2,5-dimethylphenyl)methanol
CID 23584045
ethane;(5-fluoro-2,4-dimethylphenyl)methanol
CID 154686554
(4,5-difluoro-2-methylphenyl)methanol;ethane
CID 154686336
(3-bromo-5-methyl-1-benzothiophen-6-yl)methanol
CID 130870514
5-(hydroxymethyl)-2,4-dimethylbenzoic acid
CID 89037743
(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol
CID 84710424
1-bromo-5-(bromomethyl)-2-methyl-4-(trifluoromethyl)benzene
CID 171009269
4-(2,5-dibromo-4-methylphenyl)butan-2-one
CID 14493520
(4,5-dibromo-2-methoxyphenyl)methanol
CID 118601977
(2-amino-4,5-dibromophenyl)methanol
CID 90154017
4-bromo-5-methyl-2-prop-2-enylphenol
CID 142719301
1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene
CID 130090932

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,4-dimethylphenyl)methanol;ethane?
The IUPAC name of (5-bromo-2,4-dimethylphenyl)methanol;ethane (CID 176929029) is (5-bromo-2,4-dimethylphenyl)methanol;ethane.
What is the SMILES notation for (5-bromo-2,4-dimethylphenyl)methanol;ethane?
The canonical SMILES for (5-bromo-2,4-dimethylphenyl)methanol;ethane is CC.Cc1cc(C)c(CO)cc1Br.
What is the InChIKey of (5-bromo-2,4-dimethylphenyl)methanol;ethane?
The InChIKey is GGUUMVOXROBYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO.C2H6/c1-6-3-7(2)9(10)4-8(6)5-11;1-2/h3-4,11H,5H2,1-2H3;1-2H3.
What are the key properties of (5-bromo-2,4-dimethylphenyl)methanol;ethane?
(5-bromo-2,4-dimethylphenyl)methanol;ethane has a molecular weight of 245.16 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,4-dimethylphenyl)methanol;ethane is sourced from PubChem (CID 176929029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).